CID 3085375

Einecs 269-934-6

Structural Information

Molecular Formula
C17H12N2O3
SMILES
C1=CC=C(C=C1)C2=NC=CN2C(=O)C3=CC=C(C=C3)C(=O)O
InChI
InChI=1S/C17H12N2O3/c20-16(13-6-8-14(9-7-13)17(21)22)19-11-10-18-15(19)12-4-2-1-3-5-12/h1-11H,(H,21,22)
InChIKey
WTHIQILJEIBYQS-UHFFFAOYSA-N
Compound name
4-(2-phenylimidazole-1-carbonyl)benzoic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

292.08478 Da
Monoisotopic Mass

2.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 293.09206 166.6
[M+Na]+ 315.07400 180.5
[M+NH4]+ 310.11860 173.1
[M+K]+ 331.04794 176.3
[M-H]- 291.07750 170.1
[M+Na-2H]- 313.05945 175.6
[M]+ 292.08423 169.4
[M]- 292.08533 169.4
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

No literature data available for this compound.

Patent stripe

No patent data available for this compound.